Chemical ID: 5711839

CCCn1c(=O)c2ccccc2c(n1)C(=O)Nc3ccc(cc3)Cl
Chemical ID:
5711839
Name [?]:
N-(4-chlorophenyl)-4-oxo-3-propyl-phthalazine-1-carboxamide
SMILES [?]:
CCCn1c(=O)c2ccccc2c(n1)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H16ClN3O2/c1-2-11-22-18(24)15-6-4-3-5-14(15)16(21-22)17(23)20-13-9-7-12(19)8-10-13/h3-10H,2,11H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,10,9,11,8,20,22,19,23,3,21,18,12,7,13,15,5,24,17,14,4,16,6/E:(7,8)(9,10)/rA:24nCCCNCOCCCCCCCNCONCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s4d13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClN3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.6359
Area:542.324
Solvation:-1.9222
Coulombic:-41.0596
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:341.791
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.16
LogP (Chemaxon):3.59

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